3-(1-chloranylpropan-2-yl)-4-methyl-benzenesulfonic acid

Systemtic Name: 3-(1-chloranylpropan-2-yl)-4-methyl-benzenesulfonic acid Openeye Name: 3-(2-chloro-1-methyl-ethyl)-4-methyl-benzenesulfonic acid CAS Name: 3-(1-chloropropan-2-yl)-4-methylbenzenesulfonic acid IUPAC Name: 3-(1-chloropropan-2-yl)-4-methylbenzenesulfonic acid Traditional Name: 3-(2-chloro-1-methyl-ethyl)-4-methyl-besylic acid Formula: C10H13ClO3S MolecularWeight: 248.72642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)C(C)CCl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)C(C)CCl

InChI

InChI=1S/C10H13ClO3S/c1-7-3-4-9(15(12,13)14)5-10(7)8(2)6-11/h3-5,8H,6H2,1-2H3,(H,12,13,14)